hexyl 2-[[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate

Systemtic Name: hexyl 2-[[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Openeye Name: hexyl 2-[[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]ethenyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-[[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]amino]benzoic acid hexyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H29N3O4S/c1-4-5-6-9-14-34-27(31)21-10-7-8-11-22(21)29-17-20(16-28)26-30-23(18-35-26)19-12-13-24(32-2)25(15-19)33-3/h7-8,10-13,15,17-18,29H,4-6,9,14H2,1-3H3/b20-17+